2-fluoro-5-[[1-(oxolan-2-yl)propylamino]methyl]benzonitrile

C15H19FN2O — CID 75521397

IUPAC2-fluoro-5-[[1-(oxolan-2-yl)propylamino]methyl]benzonitrile
SMILESCCC(NCc1ccc(F)c(C#N)c1)C1CCCO1
InChIInChI=1S/C15H19FN2O/c1-2-14(15-4-3-7-19-15)18-10-11-5-6-13(16)12(8-11)9-17/h5-6,8,14-15,18H,2-4,7,10H2,1H3
InChIKeyOZZDEXYJXNPOQV-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.74
Rot. Bonds5

About 2-fluoro-5-[[1-(oxolan-2-yl)propylamino]methyl]benzonitrile

2-fluoro-5-[[1-(oxolan-2-yl)propylamino]methyl]benzonitrile (PubChem CID 75521397) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-fluoro-5-[[1-(oxolan-2-yl)propylamino]methyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-[[1-(oxolan-2-yl)propylamino]methyl]benzonitrile
PubChem CID75521397
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name2-fluoro-5-[[1-(oxolan-2-yl)propylamino]methyl]benzonitrile
SMILESCCC(NCc1ccc(F)c(C#N)c1)C1CCCO1
InChIInChI=1S/C15H19FN2O/c1-2-14(15-4-3-7-19-15)18-10-11-5-6-13(16)12(8-11)9-17/h5-6,8,14-15,18H,2-4,7,10H2,1H3
InChIKeyOZZDEXYJXNPOQV-UHFFFAOYSA-N
XLogP2.74
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-5-[(2-methylpentan-3-ylamino)methyl]benzonitrile
CID 107880125
5-[(dicyclopropylmethylamino)methyl]-2-fluorobenzonitrile
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N-[(4-fluoro-3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 55039910
N,N-dimethyl-3-[[1-(oxolan-2-yl)propylamino]methyl]benzamide
CID 75521396
2-fluoro-5-[(hexan-2-ylamino)methyl]benzonitrile
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1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
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5-[[1-(3-chlorophenyl)propylamino]methyl]-2-fluorobenzonitrile
CID 103913061
2-fluoro-5-[[(4-hydroxycyclohexyl)amino]methyl]benzonitrile
CID 103859971
2-fluoro-5-[(4-methylsulfanylbutan-2-ylamino)methyl]benzonitrile
CID 107880447
2-fluoro-5-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]benzonitrile
CID 107880338
2-fluoro-5-[[(4-methyloxan-4-yl)amino]methyl]benzonitrile
CID 107880462
[2-(3,4-difluorophenyl)-1-(oxolan-2-yl)ethyl]hydrazine
CID 105229142

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[1-(oxolan-2-yl)propylamino]methyl]benzonitrile?
The IUPAC name of 2-fluoro-5-[[1-(oxolan-2-yl)propylamino]methyl]benzonitrile (CID 75521397) is 2-fluoro-5-[[1-(oxolan-2-yl)propylamino]methyl]benzonitrile.
What is the SMILES notation for 2-fluoro-5-[[1-(oxolan-2-yl)propylamino]methyl]benzonitrile?
The canonical SMILES for 2-fluoro-5-[[1-(oxolan-2-yl)propylamino]methyl]benzonitrile is CCC(NCc1ccc(F)c(C#N)c1)C1CCCO1.
What is the InChIKey of 2-fluoro-5-[[1-(oxolan-2-yl)propylamino]methyl]benzonitrile?
The InChIKey is OZZDEXYJXNPOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-2-14(15-4-3-7-19-15)18-10-11-5-6-13(16)12(8-11)9-17/h5-6,8,14-15,18H,2-4,7,10H2,1H3.
What are the key properties of 2-fluoro-5-[[1-(oxolan-2-yl)propylamino]methyl]benzonitrile?
2-fluoro-5-[[1-(oxolan-2-yl)propylamino]methyl]benzonitrile has a molecular weight of 262.33 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[[1-(oxolan-2-yl)propylamino]methyl]benzonitrile is sourced from PubChem (CID 75521397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).